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Dotriacontanol

CAT: 0926-GAA62479-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-GAA62479-01Size:100 g
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CAS Number
6624-79-9
MDL Number
MFCD16619578
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Molecular Formula
C32H66O
Molecular Weight
466.9 g/mol
Controlled
No

Chemical Information

Dotriacontanol

Dotriacontan-1-ol is an ultra-long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has a role as a plant metabolite. It derives from a hydride of a dotriacontane.

CAS Number6624-79-9
PubChem CID96117
IUPAC Namedotriacontan-1-ol
Molecular FormulaC32H66O
Molecular Weight466.9
XLogP16
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count30
Heavy Atom Count33
Formal Charge0
Complexity314
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
InChIKey
QOEHNLSDMADWEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dotriacontanol
CAS: 6624-79-9
CID: 96117
Formula: C32H66O
MW: 466.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.9
XLogP316
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count30
Exact Mass466.511366725
Monoisotopic Mass466.511366725
Topological Polar Surface Area20.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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